Glycoside
GD090246
Name:
NoneFormula:
C18H29O10N3Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC2CN(O)CCN2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NC1CN(O)CCN1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 447.44 | Num_heavy_atoms: | 31 |
| TPSA: | 161.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD39270
Formula: C4H11ON3
Smiles:
NC1CN(O)CCN1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 61.52 | NumAromaticRings: | 0 |
